2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide

C18H25ClN2O5S — CID 27242841

IUPAC2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1)NC1CCCC1
InChIInChI=1S/C18H25ClN2O5S/c19-13-7-8-16(26-12-18(22)21-14-4-1-2-5-14)17(10-13)27(23,24)20-11-15-6-3-9-25-15/h7-8,10,14-15,20H,1-6,9,11-12H2,(H,21,22)/t15-/m1/s1
InChIKeyPIAIGLYCEVIXFV-OAHLLOKOSA-N
MW416.93 g/mol
LogP2.23
Rot. Bonds8

About 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide

2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide (PubChem CID 27242841) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
PubChem CID27242841
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1)NC1CCCC1
InChIInChI=1S/C18H25ClN2O5S/c19-13-7-8-16(26-12-18(22)21-14-4-1-2-5-14)17(10-13)27(23,24)20-11-15-6-3-9-25-15/h7-8,10,14-15,20H,1-6,9,11-12H2,(H,21,22)/t15-/m1/s1
InChIKeyPIAIGLYCEVIXFV-OAHLLOKOSA-N
XLogP2.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199
[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976970
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
CID 27241017
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide (CID 27242841) is 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1)NC1CCCC1.
What is the InChIKey of 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide?
The InChIKey is PIAIGLYCEVIXFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c19-13-7-8-16(26-12-18(22)21-14-4-1-2-5-14)17(10-13)27(23,24)20-11-15-6-3-9-25-15/h7-8,10,14-15,20H,1-6,9,11-12H2,(H,21,22)/t15-/m1/s1.
What are the key properties of 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide?
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide has a molecular weight of 416.93 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide is sourced from PubChem (CID 27242841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).